1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine

C21H22FN3 — CID 86984381

IUPAC1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(C(NCc2ccc(-n3ccnc3)c(F)c2)C2CC2)cc1
InChIInChI=1S/C21H22FN3/c1-15-2-5-17(6-3-15)21(18-7-8-18)24-13-16-4-9-20(19(22)12-16)25-11-10-23-14-25/h2-6,9-12,14,18,21,24H,7-8,13H2,1H3
InChIKeyBTCPDPXDMRTYKO-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.56
Rot. Bonds6

About 1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine

1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine (PubChem CID 86984381) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine
PubChem CID86984381
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC Name1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(C(NCc2ccc(-n3ccnc3)c(F)c2)C2CC2)cc1
InChIInChI=1S/C21H22FN3/c1-15-2-5-17(6-3-15)21(18-7-8-18)24-13-16-4-9-20(19(22)12-16)25-11-10-23-14-25/h2-6,9-12,14,18,21,24H,7-8,13H2,1H3
InChIKeyBTCPDPXDMRTYKO-UHFFFAOYSA-N
XLogP4.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine
CID 86893244
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide
CID 47958616
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine
CID 166200441
ethane;1-(2-fluoro-4-methylphenyl)imidazole
CID 143815689
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
CID 47406236
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119863385
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
CID 166247503
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 60585065
4-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509822
O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
CID 117295563
1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 43768785
N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine
CID 60713991

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine (CID 86984381) is 1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine is Cc1ccc(C(NCc2ccc(-n3ccnc3)c(F)c2)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is BTCPDPXDMRTYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3/c1-15-2-5-17(6-3-15)21(18-7-8-18)24-13-16-4-9-20(19(22)12-16)25-11-10-23-14-25/h2-6,9-12,14,18,21,24H,7-8,13H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine?
1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 335.43 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 86984381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).